3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine

C18H14N2 — CID 20606462

IUPAC3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine
SMILESC#CC#CC#CC#Cc1cncc(C2CCCN2C)c1
InChIInChI=1S/C18H14N2/c1-3-4-5-6-7-8-10-16-13-17(15-19-14-16)18-11-9-12-20(18)2/h1,13-15,18H,9,11-12H2,2H3
InChIKeyTVWRXKSQJCZMDO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds1

About 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine

3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine (PubChem CID 20606462) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine
PubChem CID20606462
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine
SMILESC#CC#CC#CC#Cc1cncc(C2CCCN2C)c1
InChIInChI=1S/C18H14N2/c1-3-4-5-6-7-8-10-16-13-17(15-19-14-16)18-11-9-12-20(18)2/h1,13-15,18H,9,11-12H2,2H3
InChIKeyTVWRXKSQJCZMDO-UHFFFAOYSA-N
XLogP1.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine (CID 20606462) is 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine is C#CC#CC#CC#Cc1cncc(C2CCCN2C)c1.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine?
The InChIKey is TVWRXKSQJCZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-3-4-5-6-7-8-10-16-13-17(15-19-14-16)18-11-9-12-20(18)2/h1,13-15,18H,9,11-12H2,2H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine?
3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine has a molecular weight of 258.32 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)-5-octa-1,3,5,7-tetraynylpyridine is sourced from PubChem (CID 20606462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).